(2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole

C24H24N4O — CID 155020712

IUPAC(2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole
SMILESC=c1/c(=C\C=C(/C)n2nncc2-c2cccc(OC)c2)n(CC)c2ccccc12
InChIInChI=1S/C24H24N4O/c1-5-27-22(18(3)21-11-6-7-12-23(21)27)14-13-17(2)28-24(16-25-26-28)19-9-8-10-20(15-19)29-4/h6-16H,3,5H2,1-2,4H3/b17-13+,22-14+
InChIKeyHSRZZCVVWNKADS-MTPWMXCOSA-N
MW384.48 g/mol
LogP3.68
Rot. Bonds5

About (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole

(2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole (PubChem CID 155020712) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole.

Molecular Properties

Compound Name(2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole
PubChem CID155020712
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole
SMILESC=c1/c(=C\C=C(/C)n2nncc2-c2cccc(OC)c2)n(CC)c2ccccc12
InChIInChI=1S/C24H24N4O/c1-5-27-22(18(3)21-11-6-7-12-23(21)27)14-13-17(2)28-24(16-25-26-28)19-9-8-10-20(15-19)29-4/h6-16H,3,5H2,1-2,4H3/b17-13+,22-14+
InChIKeyHSRZZCVVWNKADS-MTPWMXCOSA-N
XLogP3.68
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole?
The IUPAC name of (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole (CID 155020712) is (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole.
What is the SMILES notation for (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole?
The canonical SMILES for (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole is C=c1/c(=C\C=C(/C)n2nncc2-c2cccc(OC)c2)n(CC)c2ccccc12.
What is the InChIKey of (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole?
The InChIKey is HSRZZCVVWNKADS-MTPWMXCOSA-N. The full InChI is InChI=1S/C24H24N4O/c1-5-27-22(18(3)21-11-6-7-12-23(21)27)14-13-17(2)28-24(16-25-26-28)19-9-8-10-20(15-19)29-4/h6-16H,3,5H2,1-2,4H3/b17-13+,22-14+.
What are the key properties of (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole?
(2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole has a molecular weight of 384.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-ethyl-2-[(E)-3-[5-(3-methoxyphenyl)triazol-1-yl]but-2-enylidene]-3-methylideneindole is sourced from PubChem (CID 155020712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).